SCHEMBL7319899

SCHEMBL7319899

CC(O)c1cccc(OC(CCCC(N)=O)N2CCCC3CCCCC32)c1[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
DGAT2 Q96PD7 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7309670 0.87 KDM4E (0.35) KDM4ECYP2D6CYP2C19
SCHEMBL7306837 0.85 KDM4E (0.30) KDM4E
SCHEMBL7314467 0.84 ALDH1A1 (0.31) KDM4E
SCHEMBL7316139 0.79 ALDH1A1 (0.31) KDM4E
SCHEMBL7310854 0.79 ALDH1A1 (0.31) KDM4E
SCHEMBL7319891 0.74 KDM4E (0.37) KDM4ECYP2D6CYP2C19
SCHEMBL10376949 0.72 ALDH1A1 (0.34) KDM4ECYP2D6CYP2C19
SCHEMBL10376145 0.69 POLB (0.31) KDM4E
SCHEMBL10374500 0.68 PDE3B (0.51)
SCHEMBL11114380 0.67 ALDH1A1 (0.34) KDM4ECYP2D6CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed